4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

C18H25FN2O2 — CID 131642635

IUPAC4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOCC2(C1)CN(Cc1ccc(F)cc1)CCO2
InChIInChI=1S/C18H25FN2O2/c1-2-7-20-8-10-22-15-18(13-20)14-21(9-11-23-18)12-16-3-5-17(19)6-4-16/h2-6H,1,7-15H2
InChIKeyUMQYUEDHAIEUDQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP1.91
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane

4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (PubChem CID 131642635) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
PubChem CID131642635
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
SMILESC=CCN1CCOCC2(C1)CN(Cc1ccc(F)cc1)CCO2
InChIInChI=1S/C18H25FN2O2/c1-2-7-20-8-10-22-15-18(13-20)14-21(9-11-23-18)12-16-3-5-17(19)6-4-16/h2-6H,1,7-15H2
InChIKeyUMQYUEDHAIEUDQ-UHFFFAOYSA-N
XLogP1.91
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane (CID 131642635) is 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is C=CCN1CCOCC2(C1)CN(Cc1ccc(F)cc1)CCO2.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
The InChIKey is UMQYUEDHAIEUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-7-20-8-10-22-15-18(13-20)14-21(9-11-23-18)12-16-3-5-17(19)6-4-16/h2-6H,1,7-15H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane?
4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane has a molecular weight of 320.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131642635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).